SCHEMBL6138007

SCHEMBL6138007

Cc1cc(I)ccc1Nc1cc(F)c(S(N)(=O)=O)cc1-n1nn[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.33
IDO1 P14902 1/20 0.32
TNIK Q9UKE5 1/20 0.31
MAP2K2 P36507 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 1/20 0.30
MAP2K5 Q13163 1/20 0.30
EIF2AK1 Q9BQI3 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6138060 0.89 MAP2K1 (0.34) MAP2K1MAP2K2CA2
SCHEMBL6139021 0.86 SOS1 (0.36) CA2
SCHEMBL6137769 0.86 MEN1 (0.37) MAP2K1IDO1TNIKMEN1KMT2A
SCHEMBL6138005 0.83 IDO1 (0.35) MAP2K1IDO1MAP2K2MEN1KMT2A
SCHEMBL6137969 0.74 MAP2K1 (0.38) MAP2K1MAP2K2CA2
SCHEMBL6138144 0.73 MAP2K1 (0.36) MAP2K1MAP2K2CA2
SCHEMBL6137754 0.73 IDO1 (0.34) MAP2K1IDO1MAP2K2MEN1KMT2A
SCHEMBL6137857 0.71 IDO1 (0.34) MAP2K1IDO1TNIKMAP2K2MEN1
SCHEMBL6138258 0.71 IDO1 (0.33) MAP2K1IDO1TNIKMEN1KMT2A
SCHEMBL6137985 0.70 IDO1 (0.34) MAP2K1IDO1MAP2K2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS MAP2K1 3800/4885IDO1 244/4885TNIK 2459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.